0 B9R0.45 C#CCOCCOCCN 5460AL [0,0,0,0,0,0|3,0,1]=4 1 B9R0.45 CCCNCCCNCC 7924AC [0,0,0,0,0,0|4,0,0]=4 2 B9R0.45 NCCCCCCCCO 6900AL [0,0,0,0,0,0|3,0,0]=3 3 B9R0.45 NCCNCCNCCN A725 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.4 CCCCCCCCC 8936AJ [1,0,0,0,0,0|3,0,0]=4 5 B8R0.4 CCCCCOCCO 6511AH [1,0,0,0,0,0|3,0,0]=4 6 B8R0.4 CCCNCCCNC 4534AE [1,0,0,0,0,0|3,0,0]=4 7 B8R0.4 NCCCNCCCO 2647AE [1,0,0,0,0,0|3,0,0]=4 8 B8R0.4 NCCCOCCCN 7195AL [1,0,0,0,0,0|2,0,0]=3 9 B10R0.71 COCCNCCOCCO AMTGC547 [0,1,0,0,0,0|3,0,0]=4 10 B10R0.71 NCCCCCCCCCN Z3509 [0,1,0,0,0,0|2,0,0]=3 11 B10R0.71 OCCNCCCNCCO 1272AA [0,1,0,0,0,0|2,0,0]=3 12 B10R1.4 CC1CCCCN1CCN 1969AC [0,0,0,1,0,0|2,0,0]=3 13 B10R1.4 NCCN1CCCCC1=O 2633AB [0,0,0,1,0,0|2,0,1]=4 14 B10R1.17 FCCOC1CCCNC1 2163AD [0,0,0,1,0,0|3,0,0]=4 15 B10R1.17 NCCCC1CCCCC1 2801AF [0,0,0,1,0,0|3,0,0]=4 16 B10R1.17 OCCCC1CCCCN1 5623AJ [0,0,0,1,0,0|3,0,0]=4 17 B10R1.21 CCCNCC1CCCO1 1152AC [0,0,0,1,0,0|3,0,0]=4 18 B10R1.21 NCCOCC1CCCC1 1619AF [0,0,0,1,0,0|3,0,0]=4 19 B10R1.21 NCCOCC1CCCO1 1050AE [0,0,0,1,0,0|3,0,0]=4 20 B10R1.85 ClCCN1CCCCCC1 3008AH [0,0,0,1,0,0|3,0,0]=4 21 B10R1.85 NCCC1CCCCCC1 3123AA [0,0,0,1,0,0|3,0,0]=4 22 B10R1.85 NCCN1CCCCCC1 W5245 [0,0,0,1,0,0|2,0,0]=3 23 B7R0.1 C#CCNCCCC 3830AE [2,0,0,0,0,0|1,0,1]=4 24 B7R0.1 CCCCOCCCl 5574AL [2,0,0,0,0,0|2,0,0]=4 25 B7R0.1 CCCCOCCN 7133AE [2,0,0,0,0,0|1,0,0]=3 26 B7R0.1 CCCNCCCO 2264AL [2,0,0,0,0,0|2,0,0]=4 27 B7R0.1 CCCNCCOC X4577 [2,0,0,0,0,0|2,0,0]=4 28 B7R0.1 CCNCCOCC 2091AE [2,0,0,0,0,0|1,0,0]=3 29 B7R0.1 N#CCCCCCN 7503AF [2,0,0,0,0,0|0,0,2]=4 30 B7R0.1 OCCCNCCO 2316AL [2,0,0,0,0,0|2,0,0]=4 31 B9R0.2 CC(=O)NCCCCCN 8354AL [1,1,0,0,0,0|1,0,1]=4 32 B9R0.5 CCOC(=O)CNCCN V4614 [1,1,0,0,0,0|1,0,1]=4 33 B11R0.3 CCCCCCCCNCCN 5469AB [0,2,0,0,0,0|2,0,0]=4 34 B11R0.3 CCCCCCCNCCCN 7233AE [0,2,0,0,0,0|2,0,0]=4 35 B11R0.3 CCCCNCCNCCCC 2606AE [0,2,0,0,0,0|2,0,0]=4 36 B9R1.8 CCCC1CCCNC1 3949AD [1,0,0,1,0,0|2,0,0]=4 37 B9R1.8 ClCCN1CCNCC1 5294AE [1,0,0,1,0,0|1,0,0]=3 38 B9R1.8 FCCC1CCCNC1 1487AD [1,0,0,1,0,0|2,0,0]=4 39 B9R1.8 NCCC1=CCCCC1 X6206 [1,0,0,1,0,0|2,0,0]=4 40 B9R1.8 NCCC1CCCCO1 W6097 [1,0,0,1,0,0|2,0,0]=4 41 B9R1.8 NCCC1CCCNC1 2630AF [1,0,0,1,0,0|1,0,0]=3 42 B9R1.8 NCCC1CCCOC1 4614AF [1,0,0,1,0,0|2,0,0]=4 43 B9R1.8 NCCC1CCNCC1 1826AC [1,0,0,1,0,0|1,0,0]=3 44 B9R1.8 NCCC1CCNCC1 4951AC [1,0,0,1,0,0|1,0,0]=3 45 B9R1.8 OCCC1CNCCN1 W5547 [1,0,0,1,0,0|1,0,0]=3 46 B9R1.8 OCC[C@@H]1CCCCN1 0871AA [1,0,0,1,0,0|2,0,0]=4 47 B9R1.8 OCC[C@@H]1CCCCN1 W8464 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.8 OCC[C@H]1CCCCN1 0559AC [1,0,0,1,0,0|2,0,0]=4 49 B9R1.8 OCC[C@H]1CNCCN1 Z4018 [1,0,0,1,0,0|1,0,0]=3 50 B9R1.12 CCCOC1CCNC1 6253AC [1,0,0,1,0,0|2,0,0]=4 51 B9R1.12 CCCO[C@@H]1CCNC1 9006AH [1,0,0,1,0,0|2,0,0]=4 52 B9R1.12 CCCO[C@H]1CCNC1 9175AH [1,0,0,1,0,0|2,0,0]=4 53 B9R1.12 CCNCC1CCCO1 8649AE [1,0,0,1,0,0|2,0,0]=4 54 B9R1.12 CCOCC1CCCN1 1661AF [1,0,0,1,0,0|2,0,0]=4 55 B9R1.12 FCCOC1CCNC1 1698AD [1,0,0,1,0,0|2,0,0]=4 56 B9R1.12 NCCCC1CCOC1 0274AD [1,0,0,1,0,0|2,0,0]=4 57 B9R1.12 NCCCC1CCOC1 2051AJ [1,0,0,1,0,0|2,0,0]=4 58 B9R1.12 NCCOC1CCCC1 5277AJ [1,0,0,1,0,0|2,0,0]=4 59 B9R1.12 NCCOC1CCCC1 5278AJ [1,0,0,1,0,0|2,0,0]=4 60 B9R1.14 CCN1CCCC1CO 4114AB [1,0,0,1,0,0|2,0,0]=4 61 B9R1.15 CCN1CCNCC1=O Y9576 [1,0,0,1,0,0|1,0,1]=4 62 B9R1.15 CCN1CCNCC1C 9829AH [1,0,0,1,0,0|1,0,0]=3 63 B9R1.15 CCN1CCNC[C@@H]1C 9102AH [1,0,0,1,0,0|1,0,0]=3 64 B9R1.50 NC1CCCCCCC1 7979AF [1,0,0,1,0,0|2,0,0]=4 65 B9R1.89 CCN1CCCNCC1 Y8866 [1,0,0,1,0,0|1,0,0]=3 66 B11R1.4 NCCCCCN1CCCC1 1069AC [0,1,0,1,0,0|2,0,0]=4 67 B11R1.4 NCCCNCC1CCCO1 2682AF [0,1,0,1,0,0|2,0,0]=4 68 B11R1.16 CN(CCN)C1CCCCC1 W3106 [0,1,0,1,0,0|2,0,0]=4 69 B11R1.16 CN(CCO)C1CCCNC1 1453AD [0,1,0,1,0,0|2,0,0]=4 70 B11R1.30 CN(CCO)CC1CCCN1 1864AD [0,1,0,1,0,0|2,0,0]=4 71 B11R1.135 CN1CCCN(CCN)CC1 Y8978 [0,1,0,1,0,0|1,0,0]=3 72 B11R1.742 CC(C)CN1CCCNCC1 6307AE [0,1,0,1,0,0|2,0,0]=4 73 B11R1.5 CCCN1CCNCCC1=O 2972AD [0,1,0,1,0,0|2,0,0]=4 74 B11R1.203 NCCCN1CCCCCC1 5292AH [0,1,0,1,0,0|2,0,0]=4 75 B11R2.20 C1CN2CCOCC2CN1 9515AF [0,0,0,2,0,0|2,0,0]=4 76 B11R2.20 C1CN2CCOC[C@@H]2CN1 9232AH [0,0,0,2,0,0|2,0,0]=4 77 B11R2.20 C1CN2CCOC[C@H]2CN1 9052AH [0,0,0,2,0,0|2,0,0]=4 78 B11R2.20 [C@@H]12CNCCN1CCOC2 8906AH [0,0,0,2,0,0|2,0,0]=4 79 B11R2.18 C1CNCC2CCCN2C1 8605AC [0,0,0,2,0,0|2,0,0]=4